Structural dynamics of a metal–organic framework induced by CO2 migration in its non-uniform porous structure

Pu Zhao (), Hong Fang, Sanghamitra Mukhopadhyay, Aurelia Li, Svemir Rudić, Ian J. McPherson, Chiu C. Tang, David Fairen-Jimenez, S. C. Edman Tsang and Simon A. T. Redfern ()
Additional contact information
Pu Zhao: University of Cambridge
Hong Fang: Virginia Commonwealth University
Sanghamitra Mukhopadhyay: Rutherford Appleton Laboratory
Aurelia Li: University of Cambridge
Svemir Rudić: Rutherford Appleton Laboratory
Ian J. McPherson: University of Oxford
Chiu C. Tang: Harwell Science and Innovation Campus
David Fairen-Jimenez: University of Cambridge
S. C. Edman Tsang: University of Oxford
Simon A. T. Redfern: University of Cambridge

Nature Communications, 2019, vol. 10, issue 1, 1-8

Abstract: Abstract Stimuli-responsive behaviors of flexible metal–organic frameworks (MOFs) make these materials promising in a wide variety of applications such as gas separation, drug delivery, and molecular sensing. Considerable efforts have been made over the last decade to understand the structural changes of flexible MOFs in response to external stimuli. Uniform pore deformation has been used as the general description. However, recent advances in synthesizing MOFs with non-uniform porous structures, i.e. with multiple types of pores which vary in size, shape, and environment, challenge the adequacy of this description. Here, we demonstrate that the CO2-adsorption-stimulated structural change of a flexible MOF, ZIF-7, is induced by CO2 migration in its non-uniform porous structure rather than by the proactive opening of one type of its guest-hosting pores. Structural dynamics induced by guest migration in non-uniform porous structures is rare among the enormous number of MOFs discovered and detailed characterization is very limited in the literature. The concept presented in this work provides new insights into MOF flexibility.

Date: 2019
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DOI: 10.1038/s41467-019-08939-y

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